Crystallography Open Database

Information card for entry 4510233

Preview

Coordinates	4510233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd I6 Tl4
Calculated formula	Cd I6 Tl4
SMILES	I[Cd](I)([I-])([I-])([I-])[I-].[Tl+].[Tl+].[Tl+].[Tl+]
Title of publication	Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection
Authors of publication	Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2401
a	9.2309 ± 0.0008 Å
b	9.2309 ± 0.0008 Å
c	9.5945 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	817.54 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.419
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510233.cif
115647	2014-06-05	cif/ Updating files of 4510233, 4510234, 4510235 Original log message: Adding full bibliography for 4510233--4510235.cif.	4510233.cif
108430	2014-04-02	cif/ Adding structures of 4510233, 4510234, 4510235 via cif-deposit CGI script.	4510233.cif